4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholine

• ChemBase ID: 711613
• Molecular Formular: C15H17ClN2O2
• Molecular Mass: 292.76068
• Monoisotopic Mass: 292.09785547
• SMILES: n1c(c(oc1c1cc(Cl)ccc1)C)CN1CCOCC1
• Canonical SMILES: Clc1cccc(c1)c1nc(c(o1)C)CN1CCOCC1
• InChI: InChI=1S/C15H17ClN2O2/c1-11-14(10-18-5-7-19-8-6-18)17-15(20-11)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3
• InChIKey: FRLDZIAIOTZQRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholine
• Synonyms: 4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0790632
• LogD (pH = 7.4): 2.537379
• Log P: 2.5478816
• Molar Refractivity: 88.9185 cm^3
• Polarizability: 30.91179 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.57
• LOG S: -2.52
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3